methyl 2-[(4-tert-butylphenyl)carbonylcarbamothioyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[(4-tert-butylphenyl)carbonylcarbamothioyl-methyl-amino]ethanoate Openeye Name: methyl 2-[(4-tert-butylbenzoyl)carbamothioyl-methyl-amino]acetate CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylbenzoyl)carbamothioyl-methylamino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoyl-methyl-amino]acetic acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N(C)CC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N(C)CC(=O)OC

InChI

InChI=1S/C16H22N2O3S/c1-16(2,3)12-8-6-11(7-9-12)14(20)17-15(22)18(4)10-13(19)21-5/h6-9H,10H2,1-5H3,(H,17,20,22)